68825942
  -OEChem-05072423582D

 37 39  0     0  0  0  0  0  0999 V2000
    5.9674   -0.3643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3426   -0.6961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318   -1.8529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    0.7312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.7925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    1.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    2.4019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    1.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -0.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -0.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    2.4632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    0.7312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    2.4632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9639   -2.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103   -2.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    1.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    2.9912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.2172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.7872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.4072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519    3.0002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519    0.1942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719    3.0002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5024   -2.1831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5498   -3.0587    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4254   -3.0112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4824   -2.6658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2169   -2.1870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7381   -1.4524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8819    1.5972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 16  2  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  4 16  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5 18  1  0  0  0  0
  5 22  2  0  0  0  0
  6  7  2  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 23  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  2  0  0  0  0
 11 14  2  0  0  0  0
 11 24  1  0  0  0  0
 12 16  1  0  0  0  0
 13 15  2  0  0  0  0
 13 25  1  0  0  0  0
 14 15  1  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
 17 19  2  0  0  0  0
 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
 19 22  1  0  0  0  0
 19 30  1  0  0  0  0
 20 31  1  0  0  0  0
 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
 22 37  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
68825942

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
438

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MAAAAAAAAAAAAAAAAAAAAWAAAAAsWAAAAAAAAFgB+AAAHgAAAAAADAzBngQ+wLMMGACoA7V3VACCgCA3AiAI2CG4ZNgIIPrA1bGEIQhgggDIyQcYicCegAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N,N-dimethyl-2-oxo-2-[2-(3-pyridyl)indolizin-3-yl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N,N-dimethyl-2-oxo-2-[2-(3-pyridinyl)-3-indolizinyl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>,<I>N</I>-dimethyl-2-oxo-2-(2-pyridin-3-ylindolizin-3-yl)acetamide

> <PUBCHEM_IUPAC_NAME>
N,N-dimethyl-2-oxo-2-(2-pyridin-3-ylindolizin-3-yl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N,N-dimethyl-2-oxidanylidene-2-(2-pyridin-3-ylindolizin-3-yl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-keto-N,N-dimethyl-2-[2-(3-pyridyl)indolizin-3-yl]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H15N3O2/c1-19(2)17(22)16(21)15-14(12-6-5-8-18-11-12)10-13-7-3-4-9-20(13)15/h3-11H,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
CADGTHMKPHOFIB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.7

> <PUBCHEM_EXACT_MASS>
293.116426730

> <PUBCHEM_MOLECULAR_FORMULA>
C17H15N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
293.32

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C)C(=O)C(=O)C1=C(C=C2N1C=CC=C2)C3=CN=CC=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C)C(=O)C(=O)C1=C(C=C2N1C=CC=C2)C3=CN=CC=C3

> <PUBCHEM_CACTVS_TPSA>
54.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
293.116426730

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  17  8
10  18  8
11  14  8
13  15  8
14  15  8
17  19  8
19  22  8
3  11  8
3  6  8
3  8  8
5  18  8
5  22  8
6  7  8
7  9  8
8  13  8
8  9  8

$$$$